Code9T4
Name(4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Synonyms
Identifier(4~{R})-~{N}-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide
FormulaC21 H18 Cl2 N2 O3
Molecular Weight417.285
SMILESCC1=C([C@@H](C2=C(N1)CCCC2=O)c3ccco3)C(=O)Nc4cc(ccc4Cl)Cl
PubChem124893090
Formal Charge0
Total Atoms46
Total Chiral Atoms1
Total Bonds49
Total Aromatic Bonds11
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8J20 A Lipid Free fatty acid FFA3 Homo Sapiens Valeric acid AR420626 Gi1/Beta1/Gamma2 3.2 2024-01-24 10.1038/s41422-023-00914-z

A 2D representation of the interactions of 9T4 in 8J20
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
A:A:G352 R:R:R113 4.5 0 No Yes 7 9 2 1
A:A:L353 R:R:R113 6.07 1 No Yes 5 9 1 1
A:A:L353 W:W:?1 5.64 1 No Yes 5 0 1 0
R:R:F39 R:R:L54 6.09 1 Yes Yes 7 8 2 2
R:R:F39 R:R:T58 3.89 1 Yes Yes 7 8 2 2
R:R:F39 R:R:Y276 7.22 1 Yes Yes 7 9 2 1
R:R:L54 R:R:Y276 8.21 1 Yes Yes 8 9 2 1
R:R:L106 R:R:L57 2.77 0 No No 8 9 1 2
R:R:L57 R:R:Y276 4.69 0 No Yes 9 9 2 1
R:R:T58 R:R:Y276 3.75 1 Yes Yes 8 9 2 1
R:R:D272 R:R:D61 5.32 0 No No 9 9 1 2
R:R:L106 W:W:?1 15.32 0 No Yes 8 0 1 0
R:R:S110 R:R:T200 9.59 1 No No 9 8 2 1
R:R:S110 R:R:Y204 10.17 1 No Yes 9 8 2 1
R:R:R113 R:R:Y204 8.23 1 Yes Yes 9 8 1 1
R:R:R113 W:W:?1 10.61 1 Yes Yes 9 0 1 0
R:R:F193 R:R:L197 6.09 1 Yes Yes 8 6 2 1
R:R:F193 R:R:F234 6.43 1 Yes Yes 8 9 2 1
R:R:F193 R:R:F238 3.22 1 Yes Yes 8 8 2 2
R:R:F234 R:R:L197 3.65 1 Yes Yes 9 6 1 1
R:R:L197 W:W:?1 4.03 1 Yes Yes 6 0 1 0
R:R:T200 R:R:Y204 4.99 1 No Yes 8 8 1 1
R:R:T200 W:W:?1 12.88 1 No Yes 8 0 1 0
R:R:V227 R:R:Y204 5.05 0 No Yes 7 8 2 1
R:R:Y204 W:W:?1 16.39 1 Yes Yes 8 0 1 0
R:R:T230 W:W:?1 29.19 0 No Yes 7 0 1 0
R:R:L231 R:R:L235 4.15 0 No No 7 5 1 2
R:R:L231 W:W:?1 4.84 0 No Yes 7 0 1 0
R:R:F234 R:R:F238 5.36 1 Yes Yes 9 8 1 2
R:R:F234 W:W:?1 11.35 1 Yes Yes 9 0 1 0
R:R:F238 R:R:N268 7.25 1 Yes Yes 8 9 2 2
R:R:D272 R:R:N268 6.73 0 No Yes 9 9 1 2
R:R:D272 W:W:?1 3.16 0 No Yes 9 0 1 0
R:R:V275 W:W:?1 4.34 0 No Yes 8 0 1 0
R:R:Y276 W:W:?1 6.14 1 Yes Yes 9 0 1 0
R:R:S201 W:W:?1 2.62 0 No Yes 4 0 1 0
R:R:F278 R:R:V275 2.62 0 No No 7 8 2 1
R:R:L207 R:R:Y204 2.34 1 No Yes 8 8 2 1
R:R:L197 R:R:L198 1.38 1 Yes No 6 3 1 2
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.73
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell34.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.73
Average Nodes In Shell29.00
Average Hubs In Shell12.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell34.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)